[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol

C17H27NO — CID 117025849

IUPAC[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
SMILESCC(C)c1ccccc1N1CCC(C)(C)C(CO)C1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-5-6-8-16(15)18-10-9-17(3,4)14(11-18)12-19/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyKHDRWXBGXBWGHO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds3

About [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol

[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol (PubChem CID 117025849) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
PubChem CID117025849
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
SMILESCC(C)c1ccccc1N1CCC(C)(C)C(CO)C1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-5-6-8-16(15)18-10-9-17(3,4)14(11-18)12-19/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyKHDRWXBGXBWGHO-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
5,5-dimethyl-1-(2-propan-2-ylphenyl)-1,4-diazepane
CID 117023755
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
2-[1-(2-bromophenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025663

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol?
The IUPAC name of [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol (CID 117025849) is [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol is CC(C)c1ccccc1N1CCC(C)(C)C(CO)C1.
What is the InChIKey of [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol?
The InChIKey is KHDRWXBGXBWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-7-5-6-8-16(15)18-10-9-17(3,4)14(11-18)12-19/h5-8,13-14,19H,9-12H2,1-4H3.
What are the key properties of [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol?
[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 117025849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).